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TripChlorolide

CAT: 1596-AR-T03084-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T03084-01Size:10 Units
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CAS Number
132368-08-2
Synonyms
(5aS,5bS,6aR,7R,8R,9R,9aS,10aS,11aS) -7-chloro-8,9-dihydroxy-8-isopropyl-5a-methyl-4,5,5a,6a,7,8,9,10a,11,11a-decahydrobis (oxireno) [2',3':4b,5;2'',3'':8a,9]phenanthro[1,2-c]furan-3 (1H) -one
Molecular Formula
C20H25ClO6
Molecular Weight
396.87
API Name
Triptolide

Chemical Information

Tripchlorolide

tripchlorolide has been reported in Tripterygium wilfordii with data available.

CAS Number132368-08-2
PubChem CID159588
IUPAC Name(1S,2S,4R,5R,6R,7R,8S,10S,12S)-5-chloro-6,7-dihydroxy-1-methyl-6-propan-2-yl-3,9,15-trioxahexacyclo[10.7.0.02,4.02,8.08,10.013,17]nonadec-13(17)-en-16-one
Molecular FormulaC20H25ClO6
Molecular Weight396.9
XLogP0.5
Topological Polar Surface Area91.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity810
SMILES
CC(C)[C@@]1([C@@H]([C@H]2[C@@]3(O2)[C@]4(CCC5=C([C@@H]4C[C@H]6[C@]3([C@@H]1O)O6)COC5=O)C)Cl)O
InChI
InChI=1S/C20H25ClO6/c1-8(2)18(24)13(21)14-20(27-14)17(3)5-4-9-10(7-25-15(9)22)11(17)6-12-19(20,26-12)16(18)23/h8,11-14,16,23-24H,4-7H2,1-3H3/t11-,12-,13+,14-,16+,17-,18-,19+,20+/m0/s1
InChIKey
OIMACDABKWJVSQ-LZVGCMTRSA-N
Chemical Structure
2D Structure
2D structure of Tripchlorolide
CAS: 132368-08-2
CID: 159588
Formula: C20H25ClO6
MW: 396.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.9
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass396.1339662
Monoisotopic Mass396.1339662
Topological Polar Surface Area91.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5791505Tripchlorolide

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